[gmx-users] Asymmetry in homo dimer simulation
hmkvsri at gmail.com
Wed Dec 5 17:35:13 CET 2012
Oh! Thanks for good suggestion. Will find a way out.
On Wed, Dec 5, 2012 at 9:56 PM, Justin Lemkul <jalemkul at vt.edu> wrote:
> On 12/5/12 11:21 AM, Kavyashree M wrote:
>> Thank you for your suggestions. I decided the cutoff based on
>> RMSD convergence. I will calculate at different time intervals.
>> Running multiple simulation is definitely the best suggestion but
>> due to time and machine constraint it would be difficult. Instead
>> I have two mesophilic simulations. But Is there any other way
>> by which I can prove this point?
> Not using single trajectories. Your job is to convince reviewers that
> your work is sound. A single trajectory is not convincing, at least to any
> reviewer that does his or her homework :)
> Justin A. Lemkul, Ph.D.
> Research Scientist
> Department of Biochemistry
> Virginia Tech
> Blacksburg, VA
> jalemkul[at]vt.edu | (540) 231-9080
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